| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 8th, 2010 | 22 | No |
Popular Name: (2S)-3-hydroxy-2-(methylamino)-N-(4-octylphenyl)propanamide (2S)-3-hydroxy-2-(methylamino)-N…
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 4.14 | 6.17 | -36.95 | 4 | 4 | 1 | 66 | 307.458 | 11 | ↓ |
| Hi High (pH 8-9.5) | 4.14 | 4.86 | -10.77 | 3 | 4 | 0 | 61 | 306.45 | 11 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SPHK1-1-E | Sphingosine Kinase 1 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 2800 | 0.35 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SPHK1_HUMAN | Q9NYA1 | Sphingosine Kinase 1, Human | 2800 | 0.35 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Association of TriC/CCT with target proteins during biosynthesis | |
| Sphingolipid de novo biosynthesis | |
| VEGFR2 mediated cell proliferation |
